CID 9554217

Urea, 1-(1-methyl-2-pyrrolidinylidene)-3-(m-tolyl)-

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC1=CC(=CC=C1)NC(=O)/N=C/2\CCCN2C
InChI
InChI=1S/C13H17N3O/c1-10-5-3-6-11(9-10)14-13(17)15-12-7-4-8-16(12)2/h3,5-6,9H,4,7-8H2,1-2H3,(H,14,17)/b15-12+
InChIKey
KPPUYCQSSNJGRN-NTCAYCPXSA-N
Compound name
(3E)-1-(3-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.13716 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.144436 153.4
[M+Na]+ 254.126378 159.3
[M-H]- 230.129884 160.1
[M+NH4]+ 249.170983 171.9
[M+K]+ 270.100318 156.8
[M+H-H2O]+ 214.134420 145.2
[M+HCOO]- 276.135361 178.0
[M+CH3COO]- 290.151011 196.1
[M+Na-2H]- 252.111826 156.3
[M]+ 231.13661142 151.0
[M]- 231.13770858 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.